Home Aminos 2-Acetylamino-3-(2-quinolon-4-yl)propionic acid

2-Acetylamino-3-(2-quinolon-4-yl)propionic acid

CAS No.:
681806-75-7
Catalog Number:
AG00FC2J
Molecular Formula:
C14H14N2O4
Molecular Weight:
274.2720
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Product Description
Catalog Number:
AG00FC2J
Chemical Name:
2-Acetylamino-3-(2-quinolon-4-yl)propionic acid
CAS Number:
681806-75-7
Molecular Formula:
C14H14N2O4
Molecular Weight:
274.2720
MDL Number:
MFCD17170536
IUPAC Name:
2-acetamido-3-(2-oxo-1H-quinolin-4-yl)propanoic acid
InChI:
InChI=1S/C14H14N2O4/c1-8(17)15-12(14(19)20)6-9-7-13(18)16-11-5-3-2-4-10(9)11/h2-5,7,12H,6H2,1H3,(H,15,17)(H,16,18)(H,19,20)
InChI Key:
XVCNPVJWQKMATF-UHFFFAOYSA-N
SMILES:
CC(=O)NC(C(=O)O)Cc1cc(=O)[nH]c2c1cccc2
Properties
Complexity:
458  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.095g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
274.276g/mol
Monoisotopic Mass:
274.095g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
95.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  
Properties